4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine

C20H33N — CID 63527108

IUPAC4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
SMILESCCNC(CCC1CCCCC1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C20H33N/c1-4-21-20(13-12-18-8-6-5-7-9-18)15-19-11-10-16(2)17(3)14-19/h10-11,14,18,20-21H,4-9,12-13,15H2,1-3H3
InChIKeyRSPINXVAXOJCDV-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.18
Rot. Bonds7

About 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine

4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine (PubChem CID 63527108) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
PubChem CID63527108
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
SMILESCCNC(CCC1CCCCC1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C20H33N/c1-4-21-20(13-12-18-8-6-5-7-9-18)15-19-11-10-16(2)17(3)14-19/h10-11,14,18,20-21H,4-9,12-13,15H2,1-3H3
InChIKeyRSPINXVAXOJCDV-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
CID 63526762
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
CID 103043472
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine
CID 61065009
1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
CID 83160928
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(3,4-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 55132596
[1-cyclobutyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215170
4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine
CID 115863120

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine?
The IUPAC name of 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine (CID 63527108) is 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine is CCNC(CCC1CCCCC1)Cc1ccc(C)c(C)c1.
What is the InChIKey of 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine?
The InChIKey is RSPINXVAXOJCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-21-20(13-12-18-8-6-5-7-9-18)15-19-11-10-16(2)17(3)14-19/h10-11,14,18,20-21H,4-9,12-13,15H2,1-3H3.
What are the key properties of 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine?
4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine is sourced from PubChem (CID 63527108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).